N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide

C22H38N4O2 — CID 110195148

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide
SMILESCN(CCNC(=O)CN1C[C@H]2C[C@H](C1)[C@H]1CCCC(=O)N1C2)C1CCCCC1
InChIInChI=1S/C22H38N4O2/c1-24(19-6-3-2-4-7-19)11-10-23-21(27)16-25-13-17-12-18(15-25)20-8-5-9-22(28)26(20)14-17/h17-20H,2-16H2,1H3,(H,23,27)/t17-,18-,20-/m1/s1
InChIKeyGHRGFJWBGOYUIL-QWFCFKBJSA-N
MW390.57 g/mol
LogP1.70
Rot. Bonds6

About N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide

N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide (PubChem CID 110195148) has the molecular formula C22H38N4O2 and a molecular weight of 390.57 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide
PubChem CID110195148
Molecular FormulaC22H38N4O2
Molecular Weight390.57 g/mol
Exact Mass390.30
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide
SMILESCN(CCNC(=O)CN1C[C@H]2C[C@H](C1)[C@H]1CCCC(=O)N1C2)C1CCCCC1
InChIInChI=1S/C22H38N4O2/c1-24(19-6-3-2-4-7-19)11-10-23-21(27)16-25-13-17-12-18(15-25)20-8-5-9-22(28)26(20)14-17/h17-20H,2-16H2,1H3,(H,23,27)/t17-,18-,20-/m1/s1
InChIKeyGHRGFJWBGOYUIL-QWFCFKBJSA-N
XLogP1.70
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide (CID 110195148) is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide is CN(CCNC(=O)CN1C[C@H]2C[C@H](C1)[C@H]1CCCC(=O)N1C2)C1CCCCC1.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide?
The InChIKey is GHRGFJWBGOYUIL-QWFCFKBJSA-N. The full InChI is InChI=1S/C22H38N4O2/c1-24(19-6-3-2-4-7-19)11-10-23-21(27)16-25-13-17-12-18(15-25)20-8-5-9-22(28)26(20)14-17/h17-20H,2-16H2,1H3,(H,23,27)/t17-,18-,20-/m1/s1.
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide has a molecular weight of 390.57 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide is sourced from PubChem (CID 110195148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).